12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene

C22H19N — CID 14448103

IUPAC12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
SMILESCc1nc2c(c3c1CCc1ccccc1-3)CCc1ccccc1-2
InChIInChI=1S/C22H19N/c1-14-17-12-10-15-6-2-4-8-18(15)21(17)20-13-11-16-7-3-5-9-19(16)22(20)23-14/h2-9H,10-13H2,1H3
InChIKeyRARITCPMRODWFS-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.92
Rot. Bonds

About 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene

12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene (PubChem CID 14448103) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
PubChem CID14448103
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
SMILESCc1nc2c(c3c1CCc1ccccc1-3)CCc1ccccc1-2
InChIInChI=1S/C22H19N/c1-14-17-12-10-15-6-2-4-8-18(15)21(17)20-13-11-16-7-3-5-9-19(16)22(20)23-14/h2-9H,10-13H2,1H3
InChIKeyRARITCPMRODWFS-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene?
The IUPAC name of 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene (CID 14448103) is 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene.
What is the SMILES notation for 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene?
The canonical SMILES for 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene is Cc1nc2c(c3c1CCc1ccccc1-3)CCc1ccccc1-2.
What is the InChIKey of 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene?
The InChIKey is RARITCPMRODWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-14-17-12-10-15-6-2-4-8-18(15)21(17)20-13-11-16-7-3-5-9-19(16)22(20)23-14/h2-9H,10-13H2,1H3.
What are the key properties of 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene?
12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene has a molecular weight of 297.40 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene is sourced from PubChem (CID 14448103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).